Comparison of the Electronic Structures of Hydrated and Unhydrated Na_xCoO_2: The Effect of H_2O

Abstract

We report electronic structure calculations within density functional theory for the hydrated superconductor Na_{1/3}CoO_2(1.33)H_2O and compare the results with the parent compound Na_{0.3}CoO_2. We find that the intercalation of water into the parent compound has little effect on the Fermi surface outside of the predictable effects expansion, in particular increased two-dimensionality. This implies an intimate connection between the electronic properties of the hydrated and unhydrated phases.